2-(cyclopropylmethyl)pyrazole-3-carbonitrile

C8H9N3 — CID 84649157

IUPAC2-(cyclopropylmethyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccnn1CC1CC1
InChIInChI=1S/C8H9N3/c9-5-8-3-4-10-11(8)6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyKSPGJVZCYYNUBY-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.16
Rot. Bonds2

About 2-(cyclopropylmethyl)pyrazole-3-carbonitrile

2-(cyclopropylmethyl)pyrazole-3-carbonitrile (PubChem CID 84649157) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethyl)pyrazole-3-carbonitrile
PubChem CID84649157
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(cyclopropylmethyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccnn1CC1CC1
InChIInChI=1S/C8H9N3/c9-5-8-3-4-10-11(8)6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyKSPGJVZCYYNUBY-UHFFFAOYSA-N
XLogP1.16
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 178099289
2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethanamine
CID 84652253
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
1-(cyclopropylmethyl)-5-(1-isocyanatocyclopropyl)pyrazole
CID 84777317
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)pyrazole-3-carbonitrile?
The IUPAC name of 2-(cyclopropylmethyl)pyrazole-3-carbonitrile (CID 84649157) is 2-(cyclopropylmethyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethyl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethyl)pyrazole-3-carbonitrile is N#Cc1ccnn1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)pyrazole-3-carbonitrile?
The InChIKey is KSPGJVZCYYNUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-5-8-3-4-10-11(8)6-7-1-2-7/h3-4,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethyl)pyrazole-3-carbonitrile?
2-(cyclopropylmethyl)pyrazole-3-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 84649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).